1-(2-phenylsulfanylethyl)-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(2-phenylsulfanylethyl)-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(2-phenylsulfanylethyl)-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-[2-(phenylthio)ethyl]-3-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(2-phenylsulfanylethyl)-3-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-[2-(phenylthio)ethyl]-3-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]thiourea Formula: C21H28N3S2+ MolecularWeight: 386.59712

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=S)NCCSC3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=S)NCCSC3=CC=CC=C3

InChI

InChI=1S/C21H27N3S2/c25-21(22-12-15-26-20-6-2-1-3-7-20)23-16-18-8-10-19(11-9-18)17-24-13-4-5-14-24/h1-3,6-11H,4-5,12-17H2,(H2,22,23,25)/p+1